[4-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanol

C14H18F3NO2 — CID 102710226

IUPAC[4-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanol
SMILESCC1OC(C)C(C(O)c2cnccc2C(F)(F)F)C1C
InChIInChI=1S/C14H18F3NO2/c1-7-8(2)20-9(3)12(7)13(19)10-6-18-5-4-11(10)14(15,16)17/h4-9,12-13,19H,1-3H3
InChIKeyIBSLRVLTAOMVJB-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.19
Rot. Bonds2

About [4-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanol

[4-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanol (PubChem CID 102710226) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is [4-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanol.

Molecular Properties

Compound Name[4-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanol
PubChem CID102710226
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name[4-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanol
SMILESCC1OC(C)C(C(O)c2cnccc2C(F)(F)F)C1C
InChIInChI=1S/C14H18F3NO2/c1-7-8(2)20-9(3)12(7)13(19)10-6-18-5-4-11(10)14(15,16)17/h4-9,12-13,19H,1-3H3
InChIKeyIBSLRVLTAOMVJB-UHFFFAOYSA-N
XLogP3.19
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

isoquinolin-8-yl-(2,4,5-trimethyloxolan-3-yl)methanol
CID 103139647
[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
piperidin-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707413
2,3-dihydro-1H-inden-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707826
1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol
CID 102710219
1-[4-(trifluoromethyl)-3-pyridinyl]heptan-1-ol
CID 102707324
(4-methylmorpholin-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707853
(4-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 115827775
[2-(trifluoromethyl)-1,3-thiazol-5-yl]-(2,4,5-trimethyloxolan-3-yl)methanol
CID 106786585
(1,1-dioxothiolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707884
4,4-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol
CID 114211469
(2-fluoro-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 65158185

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanol?
The IUPAC name of [4-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanol (CID 102710226) is [4-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanol.
What is the SMILES notation for [4-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanol?
The canonical SMILES for [4-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanol is CC1OC(C)C(C(O)c2cnccc2C(F)(F)F)C1C.
What is the InChIKey of [4-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanol?
The InChIKey is IBSLRVLTAOMVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-7-8(2)20-9(3)12(7)13(19)10-6-18-5-4-11(10)14(15,16)17/h4-9,12-13,19H,1-3H3.
What are the key properties of [4-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanol?
[4-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanol has a molecular weight of 289.30 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanol is sourced from PubChem (CID 102710226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).